Compound Detail
CHEMBL1444743
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Basic Information
| ChEMBL ID | CHEMBL1444743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIVXHCAMNMMZOQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.8
MW (Da)
4.61
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.51
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 5.27 | 5.27 | 5356.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.51 | 4.51 | 30600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 5356.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Hepatitis C virus | EC50 | = | 30600.0 | nM | 4.51 | Antiviral activity against HCV genotype 1b infected in human HuH5.2 cells with p... | 27810598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27810598 | 10.1016/j.ejmech.2016.10.043 | Hepatitis C virus | 1 |
| 27810598 | 10.1016/j.ejmech.2016.10.043 | Huh-5-2 | 1 |
| 27810598 | 10.1016/j.ejmech.2016.10.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine